ChemicalBook--->CAS DataBase List--->338982-11-9

338982-11-9

338982-11-9 Structure

338982-11-9 Structure
IdentificationBack Directory
[Name]

5-(4-CHLOROPHENYL)ISOXAZOLE-3-CARBOXYLIC ACID
[CAS]

338982-11-9
[Synonyms]

VITAS-BB TBB001516
ART-CHEM-BB B036451
OTAVA-BB 7119988318
5-(4-CHLOROPHENYL)-3-ISOXAZOLECARBOXYLIC ACID
5-Isoxazolecarboxylic acid, 3-(4-chlorophenyl)-
3-(4-chlorophenyl)-1,2-oxazole-5-carboxylic acid
[Molecular Formula]

C10H6ClNO3
[MDL Number]

MFCD01935955
[MOL File]

338982-11-9.mol
[Molecular Weight]

223.61
Chemical PropertiesBack Directory
[Melting point ]

185-186 °C
[Boiling point ]

457.3±35.0 °C(Predicted)
[density ]

1.440±0.06 g/cm3(Predicted)
[storage temp. ]

Store at room temperature
[form ]

solid
[pka]

2.14±0.10(Predicted)
[Appearance]

White to off-white Solid
[InChI]

1S/C10H6ClNO3/c11-7-3-1-6(2-4-7)8-5-9(10(13)14)15-12-8/h1-5H,(H,13,14)
[InChIKey]

COIATTMFFQMKKS-UHFFFAOYSA-N
[SMILES]

O=C(O)C1=CC(C(C=C2)=CC=C2Cl)=NO1
Safety DataBack Directory
[WGK Germany ]

WGK 3
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Spectrum DetailBack Directory
[Spectrum Detail]

5-(4-CHLOROPHENYL)ISOXAZOLE-3-CARBOXYLIC ACID(338982-11-9)1HNMR
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